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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL70582
CHEMBL70582
Compound Name
ChEMBL Synonyms Benzene-1,2-Diamine | 1,2-Phenylenediamine
Max Phase 0
Trade Names
Molecular Formula C6H8N2

Additional synonyms for CHEMBL70582 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccccc1N
Standard InChI InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
Standard InChI Key GEYOCULIXLDCMW-UHFFFAOYSA-N

Structural Alerts

There are 4 structural alerts for CHEMBL70582. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL70582

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
108.1 108.0687 0.34 0 52.04 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.46 .24 .24 1 8 0.47

Compound Cross References

ChemSpider ChemSpider:GEYOCULIXLDCMW-UHFFFAOYSA-N
PubChem SID: 124890135 SID: 124890136 SID: 144213975 SID: 17388816 SID: 71483
Wikipedia O-Phenylenediamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL70582



ACToR 615-28-1 95-54-5
ChEBI 34043
eMolecules 493903
FDA SRS 8B713N8Q0F
IBM Patent System 87D44B4E761DBDEBCCF7981833F2FA11
KEGG Ligand C14402
Mcule MCULE-9134155552
MolPort MolPort-000-871-953
Nikkaji J3.954C
NMRShiftDB 10005695
PubChem 7243
PubChem: Thomson Pharma 15297037
SureChEMBL SCHEMBL6187
ZINC ZINC00004316

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GEYOCULIXLDCMW-UHFFFAOYSA-N spacer
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